(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C19H18N4O5S — CID 9066287

IUPAC(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCc1cccn2c(=O)cc(COC(=O)CNC(=O)CNC(=O)c3cccs3)nc12
InChIInChI=1S/C19H18N4O5S/c1-12-4-2-6-23-16(25)8-13(22-18(12)23)11-28-17(26)10-20-15(24)9-21-19(27)14-5-3-7-29-14/h2-8H,9-11H2,1H3,(H,20,24)(H,21,27)
InChIKeyOJVMFKQYPOKBCZ-UHFFFAOYSA-N
MW414.44 g/mol
LogP0.65
Rot. Bonds7

About (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 9066287) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID9066287
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCc1cccn2c(=O)cc(COC(=O)CNC(=O)CNC(=O)c3cccs3)nc12
InChIInChI=1S/C19H18N4O5S/c1-12-4-2-6-23-16(25)8-13(22-18(12)23)11-28-17(26)10-20-15(24)9-21-19(27)14-5-3-7-29-14/h2-8H,9-11H2,1H3,(H,20,24)(H,21,27)
InChIKeyOJVMFKQYPOKBCZ-UHFFFAOYSA-N
XLogP0.65
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate with MolForge

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Related Compounds

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(thiophene-2-carbonylamino)propanoate
CID 46812596
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 47028535
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 8508962
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066280
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 47028534
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(thiophene-2-carbonylamino)propanoate
CID 55368991
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 47009528
naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158543
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 46805904
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734503
(4-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158551

Frequently Asked Questions

What is the IUPAC name of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 9066287) is (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is Cc1cccn2c(=O)cc(COC(=O)CNC(=O)CNC(=O)c3cccs3)nc12.
What is the InChIKey of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is OJVMFKQYPOKBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-12-4-2-6-23-16(25)8-13(22-18(12)23)11-28-17(26)10-20-15(24)9-21-19(27)14-5-3-7-29-14/h2-8H,9-11H2,1H3,(H,20,24)(H,21,27).
What are the key properties of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 414.44 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 9066287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).